Study : bsu25780 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: TRS_D_4(1JF8) / Model_34(1JF8/A) = [3.3] Download623.90-23.92MENKIIYFLCTGNSCRSQMAEGWAKQYLGDEWKVYSAGIEAHGLNPNAVKAMKEVGIDISNQTSDIIDSDILNNADLVVTLCGDAADKCPMTPPHVKREHWGFDDPARAQGTEEEKWAFFQRVRDEIGNRLKEFAETGK
Complex: TRS_D_4(1JF8) / Model_8(1JF8/A) = [3.3] Download594.26-15.77MENKIIYFLCTGNSCRSQMAEGWAKQYLGDEWKVYSAGIEAHGLNPNAVKAMKEVGIDISNQTSDIIDSDILNNADLVVTLCGDAADKCPMTPPHVKREHWGFDDPARAQGTEEEKWAFFQRVRDEIGNRLKEFAETGK
Complex: TRS_D_4(1JF8) / Model_45(1JF8/A) = [3.3] Download681.73-15.77MENKIIYFLCTGNSCRSQMAEGWAKQYLGDEWKVYSAGIEAHGLNPNAVKAMKEVGIDISNQTSDIIDSDILNNADLVVTLCGDAADKCPMTPPHVKREHWGFDDPARAQGTEEEKWAFFQRVRDEIGNRLKEFAETGK
Consensus
[pKd Mean = 3.30]
-633
(s=36)
-18
(s=3)
MENKIIYFLCTGNSCRSQMAEGWAKQYLGDEWKVYSAGIEAHGLNPNAVKAMKEVGIDISNQTSDIIDSDILNNADLVVTLCGDAADKCPMTPPHVKREHWGFDDPARAQGTEEEKWAFFQRVRDEIGNRLKEFAETGK